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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H24NO10
Molecular Weight 498.4588
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of BERBERRUBINE-9-O-.BETA.-D-GLUCURONIDE

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=C[N+]4=C(C=C3C=C1)C5=CC6=C(OCO6)C=C5CC4

InChI

InChIKey=XGXIXPBJUUVSMI-MDYSUIJBSA-O
InChI=1S/C25H23NO10/c1-32-16-3-2-11-6-15-13-8-18-17(33-10-34-18)7-12(13)4-5-26(15)9-14(11)22(16)35-25-21(29)19(27)20(28)23(36-25)24(30)31/h2-3,6-9,19-21,23,25,27-29H,4-5,10H2,1H3/p+1/t19-,20-,21+,23-,25+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BERBERRUBINE-9-O-.BETA.-D-GLUCURONIDE
Common Name English
9-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-5,6-DIHYDRO-10-METHOXYBENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM
Systematic Name English
BENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM, 9-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-5,6-DIHYDRO-10-METHOXY-
Systematic Name English
BERBERINE METABOLITE HM4
Common Name English
Code System Code Type Description
FDA UNII
O2TM3I3UOB
Created by admin on Sat Dec 16 16:14:27 GMT 2023 , Edited by admin on Sat Dec 16 16:14:27 GMT 2023
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PUBCHEM
102280080
Created by admin on Sat Dec 16 16:14:27 GMT 2023 , Edited by admin on Sat Dec 16 16:14:27 GMT 2023
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CAS
1148005-24-6
Created by admin on Sat Dec 16 16:14:27 GMT 2023 , Edited by admin on Sat Dec 16 16:14:27 GMT 2023
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